[(2S)-1-methylpyrrolidin-2-yl]methanol

C6H13NO — CID 643492

IUPAC[(2S)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1CCC[C@H]1CO
InChIInChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyVCOJPHPOVDIRJK-LURJTMIESA-N
MW115.18 g/mol
LogP0.07
Rot. Bonds1

About [(2S)-1-methylpyrrolidin-2-yl]methanol

[(2S)-1-methylpyrrolidin-2-yl]methanol (PubChem CID 643492) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is [(2S)-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-methylpyrrolidin-2-yl]methanol
PubChem CID643492
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name[(2S)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1CCC[C@H]1CO
InChIInChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyVCOJPHPOVDIRJK-LURJTMIESA-N
XLogP0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methanol (CID 643492) is [(2S)-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-methylpyrrolidin-2-yl]methanol is CN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is VCOJPHPOVDIRJK-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of [(2S)-1-methylpyrrolidin-2-yl]methanol?
[(2S)-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 115.18 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 643492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).